8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one

C23H24ClN5O3 — CID 59535755

IUPAC8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2ccc(N3CCN(C)CC3)nc2)c2oc3ccc(Cl)cc3c21
InChIInChI=1S/C23H24ClN5O3/c1-27-7-9-28(10-8-27)19-6-3-15(14-25-19)20-22-21(29(11-12-31-2)23(30)26-20)17-13-16(24)4-5-18(17)32-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeySVODUTXPBPIUCY-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.26
Rot. Bonds5

About 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one

8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 59535755) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID59535755
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2ccc(N3CCN(C)CC3)nc2)c2oc3ccc(Cl)cc3c21
InChIInChI=1S/C23H24ClN5O3/c1-27-7-9-28(10-8-27)19-6-3-15(14-25-19)20-22-21(29(11-12-31-2)23(30)26-20)17-13-16(24)4-5-18(17)32-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeySVODUTXPBPIUCY-UHFFFAOYSA-N
XLogP3.26
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-Chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d]pyrimidine
CID 2063135
H4 Receptor antagonist 1
CID 3934857
[2-(3-Chloro-benzyl)-6-methyl-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10387118
8-Chloro-4-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)benzofuro[3,2-d]pyrimidine
CID 11566111
8-Chloro-1-(2-methoxyethyl)-4-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridyl]benzofuro[3,2-d]pyrimidin-2-one
CID 59535857
N3-(3-Chloro-4-fluorophenyl)-7-(2-morpholino-pyridin-4-yl)furo[2,3-c]pyridine-2,3-diamine
CID 117704863
4-[4-(4-Chlorophenyl)piperazin-1-yl][1]benzofuro[3,2-d]pyrimidine
CID 663887
Ethyl 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 664148
8-chloro-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)benzofuro[3,2-d]pyrimidine
CID 46884996
8-Chloro-2-methoxy-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d]pyrimidine
CID 46885298
1-(2-Methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzofuro[3,2-d]pyrimidin-2-one
CID 71602782
8-Chloro-4-[6-(4-isopropylpiperazin-1-yl)-3-pyridyl]-1-(3-methoxypropyl)benzofuro[3,2-d]pyrimidin-2-one
CID 71603221

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 59535755) is 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one is COCCn1c(=O)nc(-c2ccc(N3CCN(C)CC3)nc2)c2oc3ccc(Cl)cc3c21.
What is the InChIKey of 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is SVODUTXPBPIUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-27-7-9-28(10-8-27)19-6-3-15(14-25-19)20-22-21(29(11-12-31-2)23(30)26-20)17-13-16(24)4-5-18(17)32-22/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 453.93 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 59535755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).